UCSF

ZINC16284703

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.36 7.94 -8.94 1 5 0 64 352.415 2
Mid Mid (pH 6-8) 4.87 7.82 -47.1 0 5 -1 63 351.407 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )